| SpectraBase Spectrum ID |
EV05nuJpwWA |
| Name |
N-Benzyl-N-[(2R,3R)-3-cyclohexyl-2-phenyl-oxetan-3-yl]carbamic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.261693988 u |
| Formula |
C27H35NO3 |
| InChI |
InChI=1S/C27H35NO3/c1-26(2,3)31-25(29)28(19-21-13-7-4-8-14-21)27(23-17-11-6-12-18-23)20-30-24(27)22-15-9-5-10-16-22/h4-5,7-10,13-16,23-24H,6,11-12,17-20H2,1-3H3/t24-,27+/m1/s1 |
| InChIKey |
VGCWPWWEJPSIKY-SQHAQQRYSA-N |
| Molecular Weight |
421.581 g/mol |
| SMILES |
[C@@]1(N(C(OC(C)(C)C)=O)CC=2C=CC=CC2)([C@@](C2=CC=CC=C2)(OC1)[H])C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812405 |
![N-benzyl-N-[(2R,3R)-3-cyclohexyl-2-phenyl-oxetan-3-yl]carbamic acid tert-butyl ester](/api/spectrum/EV05nuJpwWA/structure.png?h=300&w=458 "N-benzyl-N-[(2R,3R)-3-cyclohexyl-2-phenyl-oxetan-3-yl]carbamic acid tert-butyl ester")
